md_swiss_knife

This GitHub repository contains a collection of personal scripts for parsing, visualizing, and analyzing molecular dynamics trajectories generated by various engines. It also includes utility scripts for preparing training and test data required to train neural network interatomic potential models. These scripts are aimed at streamlining the molecular dynamics analysis process and making it easier to extract meaningful insights from large and complex datasets. Whether you are a researcher, engineer, or student in the field of computational chemistry or materials science, this repository is a valuable resource for your molecular dynamics workflow.

Please note that this repository is still in the development stage as I continue to learn and improve my skills. I am open to comments, suggestions, and collaborations, and would greatly appreciate any feedback that can help me grow and improve these scripts. If you have any suggestions or ideas for new features, or if you would like to contribute to the project, please feel free to reach out and I will be happy to discuss further.